ChemDiv1_013645
TL;DR: ChemDiv1_013645 (CAS 422286-91-7) is a chemical compound with molecular formula C30H32N4O6S and molecular weight 576.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013645, F3407-3898, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]propanamide, N-(3,4-dimethoxyphenethyl)-3-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
| Molecular Formula | C30H32N4O6S |
|---|---|
| Molecular Weight | 576.20 g/mol |
| LogP | 3.9021 |
| Topological Polar Surface Area | 120.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 576.2043 |
| Heavy Atoms | 41 |
| Complexity | 1589.2985 |
Chemical Identifiers
| CAS Number | 422286-91-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)OC)OC |
Product Overview
ChemDiv1_013645 (CAS 422286-91-7), with molecular formula C30H32N4O6S and molecular weight 576.20 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013645
Property Insights of ChemDiv1_013645
The XLogP value of 3.9021 indicates that ChemDiv1_013645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013645. Following Lipinski's Rule of Five, ChemDiv1_013645 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013645?
The CAS number of ChemDiv1_013645 is 422286-91-7.
What is the molecular formula of ChemDiv1_013645?
The molecular formula of ChemDiv1_013645 is C30H32N4O6S.
What is the molecular weight of ChemDiv1_013645?
The molecular weight of ChemDiv1_013645 is 576.20 g/mol.
Where can I buy ChemDiv1_013645?
You can request a quote for ChemDiv1_013645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.